SCHEMBL6071875

SCHEMBL6071875

N#Cc1c(Cc2cc[nH]n2)nc2ccccc2c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
HIF1A Q16665 1/20 0.40
CHRM2 P08172 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6071415 0.81 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6072067 0.81 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6071884 0.80 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6071634 0.80 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6071684 0.77 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6072083 0.74 ADRA2A (0.45) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6072127 0.72 CYP1A2 (0.45) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6252164 0.70 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL9791332 0.69 ADORA1 (0.62) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL9029678 0.68 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 KDM4E 1032/4885ALDH1A1 3975/4885HSD17B10 4176/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.